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ChEBI
> Main
CHEBI:180458 - saxitoxin(2+)
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ChEBI Ontology
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ChEBI Name
saxitoxin(2+)
ChEBI ID
CHEBI:180458
Definition
An iminium ion resulting from the protonation of the two imine groups of saxitoxin; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Elisabeth COUDERT
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Formula
C10H19N7O4
Net Charge
+2
Average Mass
301.306
Monoisotopic Mass
301.14875
InChI
InChI=1S/C10H17N7O4/c11-
6-
15-
5-
4(3-
21-
8(13)
18)
14-
7(12)
17-
2-
1-
9(19,20)
10(5,17)
16-
6/h4-
5,19-
20H,1-
3H2,(H2,12,14)
(H2,13,18)
(H3,11,15,16)
/p+2/t4-
,5-
,10-
/m0/s1
InChIKey
RPQXVSUAYFXFJA-HGRQIUPRSA-P
SMILES
[H][C@@]12NC(=[NH2+])N[C@]11N(CCC1(O)O)C(=[NH2+])N[C@H]2COC(N)=O
ChEBI Ontology
Outgoing
saxitoxin(2+) (
CHEBI:180458
)
is a
iminium ion (
CHEBI:35286
)
saxitoxin(2+) (
CHEBI:180458
)
is conjugate acid of
saxitoxin (
CHEBI:34970
)
Incoming
saxitoxin (
CHEBI:34970
)
is conjugate base of
saxitoxin(2+) (
CHEBI:180458
)
IUPAC Name
(3a
S
,4
R
,10a
S
)-
4-
[(carbamoyloxy)methyl]-
10,10-
dihydroxyhexahydro-
1
H
,8
H
-
pyrrolo[1,2-
c
]purine-
2,6-
bis(iminium)
Synonyms
Sources
saxitoxin
UniProt
saxitoxin dication
ChEBI
Last Modified
13 September 2021